COc1cccc2c1ccc1nc3cccc(C(=O)NC(C)CN(C)C)c3nc12
SMILES: COc1cccc2c1ccc1nc3cccc(C(=O)NC(C)CN(C)C)c3nc12

Molecular Processing

Molecular formula
C23H24N4O2
Molecular weight
388.47
Exact mass
388.1899
XLogP
3.62
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
116.58

Supplementary Information

Details werden geladen…

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